4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol

C10H18O — CID 564727

IUPAC4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1CC(O)C2C(C1)C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h6-9,11H,4-5H2,1-3H3
InChIKeyNZERPKAXZIGFLL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds

About 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol

4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol (PubChem CID 564727) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
PubChem CID564727
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1CC(O)C2C(C1)C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h6-9,11H,4-5H2,1-3H3
InChIKeyNZERPKAXZIGFLL-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol (CID 564727) is 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol is CC1CC(O)C2C(C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is NZERPKAXZIGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol?
4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).